PubChemLite - Licodione base + 2prenyl (C25H28O5)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=CC(=C(C=C1O)O)C(=O)/C=C(/C2=CC(=C(C=C2)O)CC=C(C)C)\O)C

InChI

InChI=1S/C25H28O5/c1-15(2)5-7-17-11-18(9-10-21(17)26)22(27)13-24(29)20-12-19(8-6-16(3)4)23(28)14-25(20)30/h5-6,9-14,26-28,30H,7-8H2,1-4H3/b22-13-

InChIKey

FFPFIAFZJXSGDK-XKZIYDEJSA-N

Compound name

(Z)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	409.20094	199.6
[M+Na]+	431.18288	203.8
[M-H]-	407.18638	200.6
[M+NH4]+	426.22748	207.6
[M+K]+	447.15682	197.8
[M+H-H2O]+	391.19092	192.3
[M+HCOO]-	453.19186	211.9
[M+CH3COO]-	467.20751	220.9
[M+Na-2H]-	429.16833	192.0
[M]+	408.19311	198.8
[M]-	408.19421	198.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.20094

199.6

[M+Na]+

431.18288

203.8

[M-H]-

407.18638

200.6

[M+NH4]+

426.22748

207.6

[M+K]+

447.15682

197.8

[M+H-H2O]+

391.19092

192.3

[M+HCOO]-

453.19186

211.9

[M+CH3COO]-

467.20751

220.9

[M+Na-2H]-

429.16833

192.0

[M]+

408.19311

198.8

[M]-

408.19421

198.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Licodione base + 2prenyl

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe